| CAS Number | 133344-82-8 |
| Catalog Number | AG00J3PP(AGN-PC-0WRAYH) |
| Chemical Name | N-(4-bromobenzyl)-2-(3,4-dimethoxyphenyl)ethanamine hydrochloride |
| IUPAC Name | N-[(4-bromophenyl)methyl]-2-(3,4-dimethoxyphenyl)ethanamine;hydrochloride |
| InChI | InChI=1S/C17H20BrNO2.ClH/c1-20-16-8-5-13(11-17(16)21-2)9-10-19-12-14-3-6-15(18)7-4-14;/h3-8,11,19H,9-10,12H2,1-2H3;1H |
| InChI Key | CHZXELSUUWVZOB-UHFFFAOYSA-N |
| MDL Number | MFCD13186435 |
| Molecular Formula | C17H21BrClNO2 |
| Molecular Weight | 386.7111 |
| SMILES | C1(OC)=CC(CCNCC2C=CC(Br)=CC=2)=CC=C1OC.Cl |
| Synonyms | N-(4-Bromobenzyl)-2-(3,4-dimethoxyphenyl)ethanamine hydrochloride,
133344-82-8,
ZX-CM015792,
MFCD13186435,
133344-77-1,
|
| Complexity | 282 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 385.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 386.714g/mol |
| Monoisotopic Mass | 385.044g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 30.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number